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Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules |
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| Authors: | Fan Shujie Nedev Hristo Vijayan Ranjit Iorga Bogdan I Beckstein Oliver |
| Institution: | 1.Department of Physics, Arizona State University, P.O. Box 871504, Tempe, AZ, 85287-1504, USA ;2.Université Paris-Saclay, CNRS, Institut de Chimie des Substances Naturelles, UPR 2301, Labex LERMIT, 1 Avenue de la Terrasse, 91198, Gif-sur-Yvette, France ;3.Department of Biology, College of Science, United Arab Emirates University, PO Box 15551, Al Ain, UAE ;4.Department of Physics and Center for Biological Physics, Arizona State University, P.O. Box 871504, Tempe, AZ, 85287-1504, USA ; |
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